CID 59145516

6,6-dimethyl-1h,4h,5h,6h-pyrrolo[3,4-c]pyrazol-3-amine dihydrochloride

Structural Information

Molecular Formula
C7H12N4
SMILES
CC1(C2=C(CN1)C(=NN2)N)C
InChI
InChI=1S/C7H12N4/c1-7(2)5-4(3-9-7)6(8)11-10-5/h9H,3H2,1-2H3,(H3,8,10,11)
InChIKey
KLDLJJRSWZYEFL-UHFFFAOYSA-N
Compound name
6,6-dimethyl-4,5-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

152.1062 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.11348 132.1
[M+Na]+ 175.09542 141.9
[M-H]- 151.09892 130.5
[M+NH4]+ 170.14002 154.4
[M+K]+ 191.06936 138.2
[M+H-H2O]+ 135.10346 126.0
[M+HCOO]- 197.10440 150.9
[M+CH3COO]- 211.12005 144.7
[M+Na-2H]- 173.08087 136.5
[M]+ 152.10565 127.6
[M]- 152.10675 127.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe